Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 12/20 | 0.49 |
| ▸ | PDE4A | P27815 | 15/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 14/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 14/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 14/20 | 0.47 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4040596 | 0.91 | CYP2C9 (0.63) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL13849082 | 0.84 | PDE4A (0.48) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6635113 | 0.83 | PDE4A (0.45) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL13849022 | 0.81 | PDE4A (0.47) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4041258 | 0.80 | CYP2C9 (0.54) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4039005 | 0.79 | CYP2C9 (0.61) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4035929 | 0.79 | CYP2C9 (0.68) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4046348 | 0.78 | CYP2C9 (0.67) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4042353 | 0.77 | CYP2C9 (0.59) | CYP2C9PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL4046828 | 0.76 | CYP2C9 (0.62) | CYP2C9PDE4APDE4BPDE4CPDE4D |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1487797-B1 | HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2009-05-27 | — | — | EP | disclosed |